2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzoic acid
2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8018-5260 |
| Compound Name: | 2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C11 H11 N3 O2 |
| Smiles: | Cc1nnc(C)n1c1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3665 |
| logD: | -1.7397 |
| logSw: | -1.9561 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.335 |
| InChI Key: | DZFUZPRUJIVZBA-UHFFFAOYSA-N |